Geometry & MOs

Info

ID:

181176

PubChem CID:

76715689

Reduced:

FSN3O7C33H44 (1)

Stoich.:

ABC3D7E33F44 (1)

Weight, g/mol:

670.282506

ΔHf, kcal/mol:

-311.96

Dipole, Da:

6.66

IP(EA), eV:

 -9.27(-0.2)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

14-benzyl-N-cyclopropylsulfonyl-2,15-dioxo-18-quinoxalin-2-yloxy-16-azatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCCCCCCC2CC2(CC(=O)C3CC(CN3C1=O)OC(=O)N4CC5=C(C4)C(=CC=C5)F)C(=O)NS(=O)(=O)C6(CC6)C

DOS

IR

Vibrations